Total π-electron energy - Open Access .click

Results 81 to 90 of about 307,150 (283)

Feasibility studies of the time-like proton electromagnetic form factor measurements with PANDA at FAIR

, 2010
The possibility of measuring the proton electromagnetic form factors in the time-like region at FAIR with the \PANDA detector is discussed. Detailed simulations on signal efficiency for the annihilation of $\bar p +p $ into a lepton pair as well as for ...
A. A. Piskun, T. Pocheptsov +121 more
core +3 more sources

Multimodal Data‐Driven Microstructure Characterization

Advanced Engineering Materials, EarlyView.
A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang +4 more
wiley +1 more source

DFT/TD-DFT characterization of conjugational electronic structures and spectral properties of materials based on thieno[3,2-b][1]benzothiophene for organic photovoltaic and solar cell applications

Journal of Saudi Chemical Society, 2017
In this work, a theoretical study on five organic π-conjugated molecules based on thieno[3,2-b][1]benzothiophene using together quantum methods, density functional theory (DFT) and its derivative time dependent-density functional theory (TD-DFT) is ...
Mohamed Bourass +7 more
doaj +1 more source

Fatigue Crack Initiation and Growth in Nanocrystalline Ni at Multiple Length‐Scales

Advanced Engineering Materials, EarlyView.
Overview of miniaturized in situ SEM fatigue setup and resultant fatigue crack growth data for nanocrystalline Ni. The presented study focuses on the analysis of fatigue crack growth rate (FCGR) in focused ion beam‐notched microcantilevers prepared from nanocrystalline (NC) Ni as a model material.
Igor Moravcik +7 more
wiley +1 more source

Exact SO(8) Symmetry in the Weakly-Interacting Two-Leg Ladder

, 1998
A perturbative renormalization group analysis of interacting electrons on a two-leg ladder reveals that at half-filling any weakly repulsive system scales onto an exactly soluble Gross-Neveu model with a hidden SO(8) symmetry.
A. H. C. Neto +49 more
core +1 more source

Direct Metal Deposition of Graphene–Ti28Nb35.4Zr Matrix Composites With Enhanced Mechanical, Corrosion, and Biocompatibility Properties for Bone Implants

Advanced Engineering Materials, EarlyView.
Graphene nanoplatelet (0.1 wt.%) reinforcement significantly enhances the performance of β Ti‐28Nb‐35.4Zr alloy. Grain refinement, reduced water contact angle, and improved surface characteristics promote osteoblast adhesion and complete surface coverage after 7 days.
Khurram Munir +5 more
wiley +1 more source

Nucleon Edm from Atomic Systems and Constraints on Supersymmetry Parameters

, 2005
The nucleon EDM is shown to be directly related to the EDM of atomic systems. From the observed EDM values of the atomic Hg system, the neutron EDM can be extracted, which gives a very stringent constraint on the supersymmetry parameters.
Abe K. +21 more
core +1 more source

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel +2 more
wiley +1 more source

Bounds on F-index of tricyclic graphs with fixed pendant vertices

Open Mathematics, 2020
The F-index F(G) of a graph G is obtained by the sum of cubes of the degrees of all the vertices in G. It is defined in the same paper of 1972 where the first and second Zagreb indices are introduced to study the structure-dependency of total π-electron ...
Akram Sana, Javaid Muhammad, Jamal Muhammad +2 more
doaj +1 more source

Enhancing Optoelectronic Properties in Phthalocyanine‐Based SURMOFs: Synthesis of ABAB Linkers by Avoiding Statistical Condensation with Tailored Building Blocks

Advanced Functional Materials, EarlyView.
A novel phthalocyanine (PC)‐based metal–organic framework (MOFs) is synthesized using ditopic PC linkers obtained through regioselective statistical condensation. The resulting MOF exhibits significant improvements in electronic absorption, thereby enhancing the material's performance in light harvesting and energy conversion.
Lukas S. Langer +12 more
wiley +1 more source

graph energy
hückel molecular orbital theory
benzenoid hydrocarbons

kekulé structures
physics
molecular graph

science
mathematics
laplacian energy